Information card for entry 4108800

Structure parameters

• Formula: C36 H54 B P3 Pd
• Calculated formula: C36 H54 B P3 Pd
• SMILES: c12ccccc1[B]13c4c(cccc4)[P](C(C)C)(C(C)C)[Pd]3([P]2(C(C)C)C(C)C)[P](c2ccccc12)(C(C)C)C(C)C
• Title of publication: Group 10 and 11 Metal Boratranes (Ni, Pd, Pt, CuCl, AgCl, AuCl, and Au+) Derived from a Triphosphine-Borane
• Authors of publication: Marie Sircoglou; Sébastien Bontemps; Ghenwa Bouhadir; Nathalie Saffon; Karinne Miqueu; Weixing Gu; Maxime Mercy; Chun-Hsing Chen; Bruce M. Foxman; Laurent Maron; Oleg V. Ozerov; Didier Bourissou
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 16729 - 16738
• a: 11.0591 ± 0.0005 Å
• b: 11.2426 ± 0.0006 Å
• c: 16.7043 ± 0.0008 Å
• α: 76.909 ± 0.002°
• β: 78.583 ± 0.002°
• γ: 60.716 ± 0.002°
• Cell volume: 1755.09 ± 0.15 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for all reflections: 0.0914
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9776
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No